Triethylene glycol bis(2-ethylbutyrate)
TL;DR: Triethylene glycol bis(2-ethylbutyrate) (CAS 95-08-9) is a chemical compound with molecular formula C18H34O6 and molecular weight 346.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(2-ethylbutanoyloxy)ethoxy]ethoxy]ethyl 2-ethylbutanoate
Also Known As: Plasticizer 3GH, Triglycol dihexoate, Triglycol dicaproate, Flexol plasticizer 3GH, Flexol 3GH
| Molecular Formula | C18H34O6 |
|---|---|
| Molecular Weight | 346.24 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 346.23553 |
| Heavy Atoms | 24 |
| Complexity | 291.0 |
| Melting Point | -10 °C |
| Boiling Point | >300 °C |
| Density | 0.9946 at 20.0 °C - Less dense than water; will float |
| Solubility | 0.02% BY WT IN WATER @ 20 °C |
| Flash Point | 196.1 °C |
| Vapor Pressure | 0.0000905 [mmHg] |
Chemical Identifiers
| CAS Number | 95-08-9 |
|---|---|
| SMILES | CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC |
| InChIKey | JEYLQCXBYFQJRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triethylene glycol bis(2-ethylbutyrate) (CAS 95-08-9), with molecular formula C18H34O6 and molecular weight 346.24 g/mol. IUPAC: 2-[2-[2-(2-ethylbutanoyloxy)ethoxy]ethoxy]ethyl 2-ethylbutanoate.
Chemical Property Profile of Triethylene glycol bis(2-ethylbutyrate)
Property Insights of Triethylene glycol bis(2-ethylbutyrate)
The XLogP value of 3.2 indicates that Triethylene glycol bis(2-ethylbutyrate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethylene glycol bis(2-ethylbutyrate). Following Lipinski's Rule of Five, Triethylene glycol bis(2-ethylbutyrate) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triethylene glycol bis(2-ethylbutyrate)?
The CAS number of Triethylene glycol bis(2-ethylbutyrate) is 95-08-9.
What is the molecular formula of Triethylene glycol bis(2-ethylbutyrate)?
The molecular formula of Triethylene glycol bis(2-ethylbutyrate) is C18H34O6.
What is the molecular weight of Triethylene glycol bis(2-ethylbutyrate)?
The molecular weight of Triethylene glycol bis(2-ethylbutyrate) is 346.24 g/mol.
Where can I buy Triethylene glycol bis(2-ethylbutyrate)?
You can request a quote for Triethylene glycol bis(2-ethylbutyrate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylene glycol bis(2-ethylbutyrate)?
Yes, KEHONG BIO provides custom synthesis services for Triethylene glycol bis(2-ethylbutyrate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.